[3-[[3-(butanoylamino)-7-ethyl-5-oxidanylidene-icosanoyl]-oxidanyl-phosphanyl]-3-oxidanylidene-propyl]-dimethyl-azanium

Systemtic Name: [3-[[3-(butanoylamino)-7-ethyl-5-oxidanylidene-icosanoyl]-oxidanyl-phosphanyl]-3-oxidanylidene-propyl]-dimethyl-azanium Openeye Name: [3-[[3-(butanoylamino)-7-ethyl-5-oxo-icosanoyl]-hydroxy-phosphanyl]-3-oxo-propyl]-dimethyl-ammonium CAS Name: [3-[[7-ethyl-1,5-dioxo-3-(1-oxobutylamino)eicosyl]-hydroxyphosphino]-3-oxopropyl]-dimethylammonium IUPAC Name: [3-[[3-(butanoylamino)-7-ethyl-5-oxoicosanoyl]-hydroxyphosphanyl]-3-oxopropyl]-dimethylazanium Traditional Name: [3-[(3-butyramido-7-ethyl-5-keto-eicosanoyl)-hydroxy-phosphino]-3-keto-propyl]-dimethyl-ammonium Formula: C31H60N2O5P+ MolecularWeight: 571.792261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC)CC(=O)CC(CC(=O)P(C(=O)CC[NH+](C)C)O)NC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCC(CC)CC(=O)CC(CC(=O)P(C(=O)CC[NH+](C)C)O)NC(=O)CCC

InChI

InChI=1S/C31H59N2O5P/c1-6-9-10-11-12-13-14-15-16-17-18-20-26(8-3)23-28(34)24-27(32-29(35)19-7-2)25-31(37)39(38)30(36)21-22-33(4)5/h26-27,38H,6-25H2,1-5H3,(H,32,35)/p+1